N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine

C12H20N4 — CID 86336453

IUPACN,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
SMILESCN(C)c1nccc(C[C@@H]2CCCNC2)n1
InChIInChI=1S/C12H20N4/c1-16(2)12-14-7-5-11(15-12)8-10-4-3-6-13-9-10/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyOQDTXZAMLUTVLL-JTQLQIEISA-N
MW220.32 g/mol
LogP1.08
Rot. Bonds3

About N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine

N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 86336453) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
PubChem CID86336453
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
SMILESCN(C)c1nccc(C[C@@H]2CCCNC2)n1
InChIInChI=1S/C12H20N4/c1-16(2)12-14-7-5-11(15-12)8-10-4-3-6-13-9-10/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyOQDTXZAMLUTVLL-JTQLQIEISA-N
XLogP1.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine
CID 83857559
N,N-dimethyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine;dihydrochloride
CID 119057229
3-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685076
2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
CID 115009336
2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 64830287
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
2-[[(3R)-piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridine
CID 95846194
N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 110270453
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine (CID 86336453) is N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine is CN(C)c1nccc(C[C@@H]2CCCNC2)n1.
What is the InChIKey of N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is OQDTXZAMLUTVLL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4/c1-16(2)12-14-7-5-11(15-12)8-10-4-3-6-13-9-10/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine?
N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 86336453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).